sodium 3-(acetyloxymethyl)-7-bromanyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(acetyloxymethyl)-7-bromanyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-bromo-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-7-bromo-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-7-bromo-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-7-bromo-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H14BrN2NaO6S2 MolecularWeight: 497.31593

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)Br)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)Br)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H15BrN2O6S2.Na/c1-8(20)25-6-9-7-27-15-16(17,14(24)19(15)12(9)13(22)23)18-11(21)5-10-3-2-4-26-10;/h2-4,15H,5-7H2,1H3,(H,18,21)(H,22,23);/q;+1/p-1